3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide

C19H15Cl2FN2O2 — CID 34755281

IUPAC3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C19H15Cl2FN2O2/c1-11-16(18(23-26-11)17-14(21)8-5-9-15(17)22)19(25)24(2)10-12-6-3-4-7-13(12)20/h3-9H,10H2,1-2H3
InChIKeyDZNIHHFQBHEDTI-UHFFFAOYSA-N
MW393.25 g/mol
LogP5.37
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 34755281) has the molecular formula C19H15Cl2FN2O2 and a molecular weight of 393.25 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID34755281
Molecular FormulaC19H15Cl2FN2O2
Molecular Weight393.25 g/mol
Exact Mass392.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C19H15Cl2FN2O2/c1-11-16(18(23-26-11)17-14(21)8-5-9-15(17)22)19(25)24(2)10-12-6-3-4-7-13(12)20/h3-9H,10H2,1-2H3
InChIKeyDZNIHHFQBHEDTI-UHFFFAOYSA-N
XLogP5.37
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.25
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 8964782
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 31848455
N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39966491
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 34845026
3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52705090
3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78855421
3-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-propyl-1,2-oxazole-4-carboxamide
CID 110887164
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
naphthalen-1-ylmethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7825430

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 34755281) is 3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is DZNIHHFQBHEDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN2O2/c1-11-16(18(23-26-11)17-14(21)8-5-9-15(17)22)19(25)24(2)10-12-6-3-4-7-13(12)20/h3-9H,10H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 393.25 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 34755281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).